SCHEMBL14730248

SCHEMBL14730248

CCN(C(=O)c1cnc(N2C[C@H](c3cc(C)ccc3F)[C@@H](N)C2)nc1)C1CCN(c2nc(C3CC3)no2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
DPP4 P27487 13/20 0.32
DPP7 Q9UHL4 10/20 0.32
DPP8 Q6V1X1 7/20 0.32
DPP9 Q86TI2 7/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
TACR3 P29371 1/20 0.32
USP30 Q70CQ3 1/20 0.31
CYP2D6 P10635 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14730360 0.94 MCHR1 (0.36) GPR119DPP4DPP7DPP8DPP9
SCHEMBL14730238 0.92 DPP4 (0.40) GPR119DPP4DPP7DPP8DPP9
SCHEMBL14730186 0.91 GPR119 (0.36) PDK2GPR119DPP4DPP7DPP8
SCHEMBL14730361 0.90 GPR119 (0.35) PDK2GPR119DPP4DPP7DPP8
SCHEMBL14730219 0.86 PDK2 (0.36) PDK2GPR119HDAC3HDAC4HDAC1
SCHEMBL14730184 0.85 GPR119 (0.36) GPR119DPP4DPP7DPP8DPP9
SCHEMBL14730284 0.84 MCHR1 (0.36) GPR119DPP4DPP7DPP8DPP9
SCHEMBL14730359 0.83 MCHR1 (0.36) GPR119DPP4DPP7DPP8DPP9
SCHEMBL14730183 0.82 DPP4 (0.33) DPP4DPP7DPP8DPP9CYP2D6
SCHEMBL14730293 0.82 DPP4 (0.32) PDK2DPP4DPP7DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed